2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C12H18F3NO2 — CID 113248485

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10(17)6-16-11(18)5-9-4-7-1-2-8(9)3-7/h7-10,17H,1-6H2,(H,16,18)
InChIKeyVASFOEYOZAUCPP-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.85
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 113248485) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID113248485
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(O)C(F)(F)F
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10(17)6-16-11(18)5-9-4-7-1-2-8(9)3-7/h7-10,17H,1-6H2,(H,16,18)
InChIKeyVASFOEYOZAUCPP-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 113248485) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC1CC2CCC1C2)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is VASFOEYOZAUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)10(17)6-16-11(18)5-9-4-7-1-2-8(9)3-7/h7-10,17H,1-6H2,(H,16,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 113248485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).